5-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile

C21H15ClN6O — CID 18779722

IUPAC5-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Cn2cncc2Cc2ccc(-n3cc(Cl)ccc3=O)nc2)cn1
InChIInChI=1S/C21H15ClN6O/c22-17-3-6-21(29)28(13-17)20-5-2-15(9-26-20)7-19-11-24-14-27(19)12-16-1-4-18(8-23)25-10-16/h1-6,9-11,13-14H,7,12H2
InChIKeyOOTGDEZLIYAJGA-UHFFFAOYSA-N
MW402.85 g/mol
LogP2.99
Rot. Bonds5

About 5-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile

5-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile (PubChem CID 18779722) has the molecular formula C21H15ClN6O and a molecular weight of 402.85 g/mol. Its IUPAC name is 5-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile
PubChem CID18779722
Molecular FormulaC21H15ClN6O
Molecular Weight402.85 g/mol
Exact Mass402.10
IUPAC Name5-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Cn2cncc2Cc2ccc(-n3cc(Cl)ccc3=O)nc2)cn1
InChIInChI=1S/C21H15ClN6O/c22-17-3-6-21(29)28(13-17)20-5-2-15(9-26-20)7-19-11-24-14-27(19)12-16-1-4-18(8-23)25-10-16/h1-6,9-11,13-14H,7,12H2
InChIKeyOOTGDEZLIYAJGA-UHFFFAOYSA-N
XLogP2.99
TPSA89.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.85
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile (CID 18779722) is 5-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile is N#Cc1ccc(Cn2cncc2Cc2ccc(-n3cc(Cl)ccc3=O)nc2)cn1.
What is the InChIKey of 5-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile?
The InChIKey is OOTGDEZLIYAJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN6O/c22-17-3-6-21(29)28(13-17)20-5-2-15(9-26-20)7-19-11-24-14-27(19)12-16-1-4-18(8-23)25-10-16/h1-6,9-11,13-14H,7,12H2.
What are the key properties of 5-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile?
5-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile has a molecular weight of 402.85 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 18779722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).